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Home > Imidazoles > 941400-44-8
941400-44-8 | 4-{5H,6H,7H-pyrrolo[1,2-a]imidazol-2-yl}aniline
CAS No: 941400-44-8 Catalog No: AG019KVD MDL No:MFCD09413274
Product Description
Catalog Number:
AG019KVD
Chemical Name:
4-{5H,6H,7H-pyrrolo[1,2-a]imidazol-2-yl}aniline
CAS Number:
941400-44-8
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD09413274
IUPAC Name:
4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)aniline
InChI:
InChI=1S/C12H13N3/c13-10-5-3-9(4-6-10)11-8-15-7-1-2-12(15)14-11/h3-6,8H,1-2,7,13H2
InChI Key:
HXHKKYGWCHNBDN-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1cn2c(n1)CCC2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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